Home

A CASE STUDY DEMONSTRATING VIRTUAL SCREENING and ALLOSTERY IN ACTION!
An allosteric modulator (AM) bound to the convex face of WW1 domain of YAP2 transcriptional regulator with attomolar (10-18M) affinity. Note that the PPXY-based cognate ligands would exclusively dock onto the exact opposite concave face of the WW1 domain in a non-competitive manner. The allosteric modulator was identified through virtual screening of a natural-product-based library comprised of close to one million small molecules with an average molar mass of 500D.

Copyright © 2004 Farooq Laboratory